Subject: GRASP electrostatic potential

From: "Ibrahim M.Moustafa" <[email-masked]>
Date: Thu, 23 Jan 2003 10:49:48 +0000

Dear CCL users;

    When calculating the electrostatic potential surface in GRASP for a 
macromolecule, the surface
  can be color coded according to the absolute values of the calculated 
potential. Does any body know
  which unit is used in GRASP calculation?. I always see in papers the ESP 
surfaces are colored with codes
  between values of (1KT) and (-1KT), is it the unit used in GRASP 
calculations? or how can we convert the unit in
    GRASP to KT unit?

         Appreciated your help.

   Ibrahim

  Ibrahim M.Mostafa
Center for Biomolecular Sciences,
Molecular Sciences Building,
North Haugh,St.Andrews,
Fife,KY16 9ST,
Scotland,U.K.
Tel.   +44-1334-467257
Fax   +44-1334-462595
e-mail: [email-masked]